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Target
Integrase
Ligand
BDBM107681
Substrate
n/a
Meas. Tech.
ChEMBL_722510 (CHEMBL1675359)
IC50
200±n/a nM
Citation
 Hombrouck, A; Van Remoortel, B; Michiels, M; Noppe, W; Christ, F; Eneroth, A; Sahlberg, BL; Benkestock, K; Vrang, L; Johansson, NG; Barreca, ML; De Luca, L; Ferro, S; Chimirri, A; Debyser, Z; Witvrouw, M Preclinical evaluation of 1H-benzylindole derivatives as novel human immunodeficiency virus integrase strand transfer inhibitors. Antimicrob Agents Chemother 52:2861-9 (2008) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
pol
Type:
PROTEIN
Mol. Mass.:
32203.43
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_106649
Residue:
288
Sequence:
FLDGIDKAQEEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPVWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM107681
Synonyms:
(2Z)-4-[3,5-bis(benzyloxy)phenyl]-2-hydroxy-4- oxobut-2-enoic acid (Compound 2) | CHEMBL19977 | CHEMBL320261
Type:
Small organic molecule
Emp. Form.:
C24H20O6
Mol. Mass.:
404.412
SMILES:
OC(=O)C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
Structure:
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